6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide

C11H22F2N2O2 — CID 106176794

IUPAC6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H22F2N2O2/c1-8(4-3-5-9(2)14)10(17)15-6-11(12,13)7-16/h8-9,16H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyWLZVPZOLGQRJKD-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.88
Rot. Bonds8

About 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide

6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide (PubChem CID 106176794) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide
PubChem CID106176794
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC Name6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H22F2N2O2/c1-8(4-3-5-9(2)14)10(17)15-6-11(12,13)7-16/h8-9,16H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyWLZVPZOLGQRJKD-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 81932865
2,2-difluoro-3-hydroxy-4-methyl-N-propan-2-ylpentanamide
CID 16090039
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
CID 10490109
(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
CID 22849257
2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide
CID 57438444
N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide
CID 88612783
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-(2-methylpropyl)hexanamide
CID 122689494
(3R,4S)-4-amino-N-ethyl-2,2-difluoro-3-hydroxy-5-methylhexanamide
CID 122689642
(6S)-7,7,7-trifluoro-N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-6-(2-methylpropanoylamino)heptanamide
CID 132250260
(4S)-4-amino-N-ethyl-2,2-difluoro-3-hydroxy-5-methylhexanamide
CID 146568520
(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-(2-methylpropyl)hexanamide
CID 146568728

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide (CID 106176794) is 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)NCC(F)(F)CO.
What is the InChIKey of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide?
The InChIKey is WLZVPZOLGQRJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-8(4-3-5-9(2)14)10(17)15-6-11(12,13)7-16/h8-9,16H,3-7,14H2,1-2H3,(H,15,17).
What are the key properties of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide?
6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide has a molecular weight of 252.30 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-methylheptanamide is sourced from PubChem (CID 106176794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).